Formula |
C19H21BrN8O |
IUPAC Name |
3-[[4-[6-bromo-2-(1-methyl-4h-imidazol-1-ium-4-ylium-5-yl)imidazo[4,5-b]pyridin-1-ium-6-id-7-yl]piperazin-1-yl]methyl]-5-methyl-4h-isoxazol-1-ium-4-ide |
Molecular Mass |
457.327 g·mol−1 |
Heat of Formation |
497.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.23 ± 1.08 D |
Volume |
470.75 Å 3 |
Surface Area |
365.94 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
0.98 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QWRJMSZUKHRINI-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
Br
N
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